SCHEMBL2073218

SCHEMBL2073218

CN(C)CCCNC(=O)c1cc(NC(=O)c2nc(NC(=O)c3cc([N+](=O)[O-])cn3C)cn2C)cn1C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
EP300 Q09472 4/20 0.49
PRKCA P17252 3/20 0.40
ERBB2 P04626 1/20 0.39
HRAS P01112 5/20 0.38
ESR1 P03372 5/20 0.38
ESR2 Q92731 5/20 0.38
TOP1 P11387 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.35
HTT P42858 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26374313 0.94 HDAC1 (0.54) HDAC1HDAC2HDAC8EP300PRKCA
SCHEMBL10693709 0.91 HDAC1 (0.51) HDAC1HDAC2HDAC8EP300PRKCA
SCHEMBL1844965 0.91 HDAC1 (0.51) HDAC1HDAC2HDAC8EP300PRKCA
SCHEMBL10690267 0.91 HDAC1 (0.51) HDAC1HDAC2HDAC8EP300PRKCA
SCHEMBL12934349 0.86 HDAC1 (0.68) HDAC1HDAC2HDAC8EP300PRKCA
SCHEMBL2071768 0.86 HDAC1 (0.58) HDAC1HDAC2HDAC8EP300PRKCA
SCHEMBL1842219 0.86 HDAC1 (0.48) HDAC1HDAC2HDAC8EP300PRKCA
SCHEMBL26374322 0.85 HDAC1 (0.44) HDAC1HDAC2HDAC8EP300ERBB2
SCHEMBL1843769 0.85 HDAC1 (0.47) HDAC1HDAC2HDAC8EP300PRKCA
SCHEMBL1841707 0.85 HDAC1 (0.49) HDAC1HDAC2HDAC8EP300PRKCA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863455-B2 Electrochemically active ligand for sequence-specific detection of double-stranded nucleic acid molecule JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-01-04 US disclosed
US-20070172826-A1 Electrochemically active ligand for sequence-specific detection of double-stranded nucleic acid molecule JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-07-26 US disclosed
EP-1719777-A1 ELECTROCHEMICALLY ACTIVE LIGAND FOR SEQUENCE-SPECIFIC DETECTION OF DOUBLE-STRANDED NUCLEIC ACID MOLECULE Japan Science and Technology Agency (JP) 2006-11-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070172826-A1 Electrochemically active ligand for sequence-specific detection of double-stranded nucleic acid molecule POLRMT, POLM, POLI HDAC1 2852/4885HDAC2 2783/4885HDAC8 1320/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.